Chemical Properties of Sebacic acid, 1-(4-fluorophenyl)ethyl isobutyl ester

Sebacic acid, 1-(4-fluorophenyl)ethyl isobutyl ester

InChI
InChI=1S/C22H33FO4/c1-17(2)16-26-21(24)10-8-6-4-5-7-9-11-22(25)27-18(3)19-12-14-20(23)15-13-19/h12-15,17-18H,4-11,16H2,1-3H3
InChI Key
MKWANQVAAFJOCA-UHFFFAOYSA-N
Formula
C22H33FO4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)OC(C)c1ccc(F)cc1
Molecular Weight1
380.49
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Physical Properties

Property Value Unit Source
ΔfH°gas -1106.43 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 51.16 kJ/mol Joback Calculated Property
ΔvapH° 107.48 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 5.750 Crippen Calculated Property
McVol 313.730 ml/mol McGowan Calculated Property
Pc 1087.06 kPa Joback Calculated Property
Inp [2517.00; 2517.00]   Show Hide
Inp 2517.00 NIST
Inp 2517.00 NIST
Tboil 627.39 K Relay (1.0) Calculated Property
Tc 829.23 K Relay (1.0) Calculated Property
Tfus 299.02 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [991.17; 1072.21] J/mol×K [849.45; 1045.99] Show Hide
Cp,gas 991.17 J/mol×K 849.45 Joback Calculated Property
Cp,gas 1007.77 J/mol×K 882.21 Joback Calculated Property
Cp,gas 1023.10 J/mol×K 914.96 Joback Calculated Property
Cp,gas 1037.18 J/mol×K 947.72 Joback Calculated Property
Cp,gas 1050.03 J/mol×K 980.48 Joback Calculated Property
Cp,gas 1061.70 J/mol×K 1013.23 Joback Calculated Property
Cp,gas 1072.21 J/mol×K 1045.99 Joback Calculated Property

Similar Compounds

Sebacic acid, 1-(4-fluorophenyl)ethyl propyl ester. Sebacic acid, butyl 1-(4-fluorophenyl)ethyl ester. Sebacic acid, 1-(4-fluorophenyl)ethyl pentyl ester. Sebacic acid, 1-(4-fluorophenyl)ethyl hexyl ester. Glutaric acid, 1-(4-fluorophenyl)ethyl undecyl ester. Glutaric acid, 1-(4-fluorophenyl)ethyl nonyl ester. Glutaric acid, decyl 1-(4-fluorophenyl)ethyl ester. Glutaric acid, 1-(4-fluorophenyl)ethyl heptyl ester. Glutaric acid, 1-(4-fluorophenyl)ethyl hexyl ester. Glutaric acid, 1-(4-fluorophenyl)ethyl pentyl ester. Glutaric acid, isobutyl 1-phenylethyl ester. Glutaric acid, butyl 1-(4-fluorophenyl)ethyl ester. Glutaric acid, 1-(4-fluorophenyl)ethyl propyl ester. Sebacic acid, ethyl 1-(4-fluorophenyl)ethyl ester. Sebacic acid, di(1-(4-fluorophenyl)ethyl) ester.

Find more compounds similar to Sebacic acid, 1-(4-fluorophenyl)ethyl isobutyl ester.

Sources

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